methyl 6-methyl-2-[(2-methyl-6-propan-2-yl-phenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[(2-methyl-6-propan-2-yl-phenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-isopropyl-6-methyl-phenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[(2-methyl-6-propan-2-ylanilino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-isopropyl-6-methyl-phenyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H28N2O2S2 MolecularWeight: 416.59992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(C=CC=C3C(C)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(C=CC=C3C(C)C)C

InChI

InChI=1S/C22H28N2O2S2/c1-12(2)15-8-6-7-14(4)19(15)23-22(27)24-20-18(21(25)26-5)16-10-9-13(3)11-17(16)28-20/h6-8,12-13H,9-11H2,1-5H3,(H2,23,24,27)